2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile

C96H92F5N27O6 — CID 160930542

About 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile

2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile (PubChem CID 160930542) has the molecular formula C96H92F5N27O6 and a molecular weight of 1814.96 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile
• PubChem CID: 160930542
• Molecular Formula: C96H92F5N27O6
• Molecular Weight: 1814.96 g/mol
• Exact Mass: 1813.76
• IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile
• SMILES: COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)nc2cn1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)nc2cn1.N#Cc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1.O=c1cc(-c2cc(F)cc(C(F)(F)F)c2)nc2ccc(N3CCNCC3)cn12
• InChI: InChI=1S/C20H21N7O.C19H16F4N4O.C19H19FN4O2.C19H19N7O.C19H17N5O/c1-13-9-25(6-5-21-13)15-3-4-18-23-16(7-20(28)27(18)11-15)17-12-26-10-14(2)22-8-19(26)24-17;20-14-8-12(7-13(9-14)19(21,22)23)16-10-18(28)27-11-15(1-2-17(27)25-16)26-5-3-24-4-6-26;1-26-17-4-2-13(10-15(17)20)16-11-19(25)24-12-14(3-5-18(24)22-16)23-8-6-21-7-9-23;1-13-10-25-12-16(23-18(25)9-21-13)15-8-19(27)26-11-14(2-3-17(26)22-15)24-6-4-20-5-7-24;20-12-14-1-3-15(4-2-14)17-11-19(25)24-13-16(5-6-18(24)22-17)23-9-7-21-8-10-23/h3-4,7-8,10-13,21H,5-6,9H2,1-2H3;1-2,7-11,24H,3-6H2;2-5,10-12,21H,6-9H2,1H3;2-3,8-12,20H,4-7H2,1H3;1-6,11,13,21H,7-10H2/t13-;;;;/m0..../s1
• InChIKey: STEZFMHTFRNCNF-AHJYMZSGSA-N
• XLogP: 9.12
• TPSA: 341.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 11
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1814.96
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile?

The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile (CID 160930542) is 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile.

What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile?

The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile is COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F.Cc1cn2cc(-c3cc(=O)n4cc(N5CCNCC5)ccc4n3)nc2cn1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)nc2cn1.N#Cc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1.O=c1cc(-c2cc(F)cc(C(F)(F)F)c2)nc2ccc(N3CCNCC3)cn12.

What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile?

The InChIKey is STEZFMHTFRNCNF-AHJYMZSGSA-N. The full InChI is InChI=1S/C20H21N7O.C19H16F4N4O.C19H19FN4O2.C19H19N7O.C19H17N5O/c1-13-9-25(6-5-21-13)15-3-4-18-23-16(7-20(28)27(18)11-15)17-12-26-10-14(2)22-8-19(26)24-17;20-14-8-12(7-13(9-14)19(21,22)23)16-10-18(28)27-11-15(1-2-17(27)25-16)26-5-3-24-4-6-26;1-26-17-4-2-13(10-15(17)20)16-11-19(25)24-12-14(3-5-18(24)22-16)23-8-6-21-7-9-23;1-13-10-25-12-16(23-18(25)9-21-13)15-8-19(27)26-11-14(2-3-17(26)22-15)24-6-4-20-5-7-24;20-12-14-1-3-15(4-2-14)17-11-19(25)24-13-16(5-6-18(24)22-17)23-9-7-21-8-10-23/h3-4,7-8,10-13,21H,5-6,9H2,1-2H3;1-2,7-11,24H,3-6H2;2-5,10-12,21H,6-9H2,1H3;2-3,8-12,20H,4-7H2,1H3;1-6,11,13,21H,7-10H2/t13-;;;;/m0..../s1.

What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile?

2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile has a molecular weight of 1814.96 g/mol, XLogP of 9.12, 11 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-[3-fluoro-5-(trifluoromethyl)phenyl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;4-(4-oxo-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)benzonitrile is sourced from PubChem (CID 160930542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).